Sscan

We present an algorithm to compute molecular graph descriptors considering the stereochemistry of the molecular structure based on our previously introduced signature molecular descriptor. The algorithm can generate two types of descriptors, one which is compliant with the Cahn-Ingold-Prelog priority…

Canonical signatures are representations of the local structure of molecules. Their canonical-height version gives a global description of the structure. Canonical representations fully identify molecules. We introduce a web server that computes the signature for a given chemical compound. Note:…